N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine

C7H8N2O — CID 137218431

IUPACN-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cccnc1C=NO
InChIInChI=1S/C7H8N2O/c1-6-3-2-4-8-7(6)5-9-10/h2-5,10H,1H3
InChIKeyGYSFJUNVQZYJKY-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.20
Rot. Bonds1

About N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine

N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 137218431) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID137218431
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cccnc1C=NO
InChIInChI=1S/C7H8N2O/c1-6-3-2-4-8-7(6)5-9-10/h2-5,10H,1H3
InChIKeyGYSFJUNVQZYJKY-UHFFFAOYSA-N
XLogP1.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine (CID 137218431) is N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine is Cc1cccnc1C=NO.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is GYSFJUNVQZYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-6-3-2-4-8-7(6)5-9-10/h2-5,10H,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine?
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 136.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137218431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).